Statements (21)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
|
| gptkbp:activity |
inhibitor
|
| gptkbp:has_assay_description |
Inhibition of adenosine A2a receptor binding
|
| gptkbp:has_assay_organism |
gptkb:human
|
| gptkbp:has_data_source |
gptkb:ChEMBL
|
| gptkbp:has_standard_relation |
=
|
| gptkbp:has_standard_type |
IC50
|
| gptkbp:has_standard_units |
nM
|
| gptkbp:has_standard_value |
0.7 nM
|
| gptkbp:hasAssay |
binding
|
| gptkbp:hasBiologicalActivity |
antagonist
|
| gptkbp:hasInChIKey |
gptkb:QJQJQJQJQJQJQJ-UHFFFAOYSA-N
|
| gptkbp:hasMolecularFormula |
C17H19N3O3S
|
| gptkbp:hasSMILES |
CC1=CC(=O)N(C2=CC=CC=C12)C3=NC4=C(C=CC(=C4)S(=O)(=O)N)N3C
|
| https://www.w3.org/2000/01/rdf-schema#label |
CHEMBL2104122
|
| gptkbp:is_in_ChEMBL_database |
true
|
| gptkbp:molecularWeight |
345.42
|
| gptkbp:PubChem_CID |
gptkb:CHEMBL2104122
|
| gptkbp:target |
gptkb:Adenosine_A2a_receptor
|
| gptkbp:bfsParent |
gptkb:(−)-levomethorphan
|
| gptkbp:bfsLayer |
8
|